Information card for entry 4076790

Structure parameters

• Formula: C16 H15 Mn2 O6 Rh S2
• Calculated formula: C16 H15 Mn2 O6 Rh S2
• SMILES: [Mn]123([Mn]45([Rh]67891([S]24)([S]35)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Insertion of Cyclopentadienylmetal Groups into the S−S Bond of Mn2(CO)7(μ-S2)
• Authors of publication: Adams, Richard D.; Kwon, O-Sung; Smith, Mark D.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1960
• a: 9.0984 ± 0.0005 Å
• b: 13.5527 ± 0.0007 Å
• c: 17.7743 ± 0.0009 Å
• α: 92.723 ± 0.001°
• β: 94.411 ± 0.001°
• γ: 102.352 ± 0.001°
• Cell volume: 2130.03 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No